Glycoside
GD148089
Name:
6-({5-carboxy-26-[2-(4-ethyl-1H-pyrrol-3-yl)ethyl]-6-(methoxymethyl)-1,8,21,21-tetramethyl-2-(3-oxopropyl)heptacyclo[16.6.2.1â¸,¹².0²,¹³.0âµ,¹².0¹âµ,²âµ.0²²,²â¶]heptacosa-10,13-dien-20-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C51H73O11NSmiles:
CCc1c[nH]cc1CCC12C3CCC4C=C5C67C=CCC(C)(CC(COC)C6(C(=O)O)CCC5(CCC=O)C(C)(CCC1C(C)(C)C(OC1OC(C(=O)O)C(O)C(O)C1O)C3)C42)C7Aglycone:
CCc1c[nH]cc1CCC12C3CCC4C=C5C67C=CCC(C)(CC(COC)C6(C(=O)O)CCC5(CCC=O)C(C)(CCC1C(C)(C)C(O)C3)C42)C7Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 9 |
| HBD: | 6 | FractionCSP3: | 0.78 |
| AlogP: | 7.04 | Num_rotatable_bonds: | 13 |
| MolWt: | 876.14 | Num_heavy_atoms: | 63 |
| TPSA: | 195.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD59273
Formula: C45H65O5N
Smiles:
CCc1c[nH]cc1CCC12C3CCC4C=C5C67C=CCC(C)(CC(COC)C6(C(=O)O)CCC5(CCC=O)C(C)(CCC1C(C)(C)C(O)C3)C42)C7| HBA: | 6 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 9.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 700.02 | Num_heavy_atoms: | 51 |
| TPSA: | 99.62 | NumAromaticRings: | 1 |
